![2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile structure](/static/products/7330/733030-89-2.webp)
2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile
TL;DR: 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile (CAS 733030-89-2) is a chemical compound with molecular formula C15H10ClN3OS and molecular weight 315.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(chloromethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
Also Known As: 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile, [2-(chloromethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl]acetonitrile, 2-[2-(chloromethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
| Molecular Formula | C15H10ClN3OS |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 3.38738 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.02332 |
| Heavy Atoms | 21 |
| Complexity | 892.9081 |
Chemical Identifiers
| CAS Number | 733030-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CCl)CC#N |
Product Overview
2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile (CAS 733030-89-2), with molecular formula C15H10ClN3OS and molecular weight 315.02 g/mol. IUPAC: 2-[2-(chloromethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile.
Chemical Property Profile of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile
Property Insights of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile
The XLogP value of 3.38738 indicates that 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The CAS number of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile is 733030-89-2.
What is the molecular formula of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The molecular formula of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile is C15H10ClN3OS.
What is the molecular weight of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The molecular weight of 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile is 315.02 g/mol.
Where can I buy 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile?
You can request a quote for 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.